4-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-[(2-cyanophenyl)thio]benzoyl]amino]-3-methyl-benzoic acid Formula: C22H16N2O3S MolecularWeight: 388.43904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C22H16N2O3S/c1-14-12-15(22(26)27)10-11-18(14)24-21(25)17-7-3-5-9-20(17)28-19-8-4-2-6-16(19)13-23/h2-12H,1H3,(H,24,25)(H,26,27)